SCHEMBL2354375

SCHEMBL2354375

CO[C@H]1CC[C@@]2(CC1)NC(=O)C(c1cc(-c3ccc(Cl)cc3)ccc1Cl)=C2O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 13/20 0.71
ACACA Q13085 13/20 0.71
JAK2 O60674 1/20 0.35
NTRK1 P04629 1/20 0.35
MET P08581 1/20 0.35
FGFR1 P11362 1/20 0.35
PRKACA P17612 1/20 0.35
KDR P35968 1/20 0.35
MAP2K2 P36507 1/20 0.35
FLT3 P36888 1/20 0.35
GSK3B P49841 1/20 0.35
MAP2K1 Q02750 1/20 0.35
MST1R Q04912 1/20 0.35
NTRK3 Q16288 1/20 0.35
NTRK2 Q16620 1/20 0.35
CAMK1D Q8IU85 1/20 0.35
TDP2 O95551 1/20 0.34
SLC6A4 P31645 1/20 0.34
SLC6A3 Q01959 1/20 0.34
BACE1 P56817 4/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14700724 1.00 ACACB (0.71) ACACBACACAJAK2NTRK1MET
SCHEMBL2353412 1.00 ACACB (0.71) ACACBACACAJAK2NTRK1MET
SCHEMBL2354354 0.92 ACACB (0.75) ACACBACACASLC6A4SLC6A3BACE1
SCHEMBL14161244 0.92 ACACB (0.75) ACACBACACASLC6A4SLC6A3BACE1
SCHEMBL8280657 0.92 ACACB (0.75) ACACBACACASLC6A4SLC6A3BACE1
SCHEMBL6113684 0.92 ACACB (0.75) ACACBACACASLC6A4SLC6A3BACE1
SCHEMBL14689249 0.91 ACACB (0.79) ACACBACACATDP2SLC6A4SLC6A3
SCHEMBL14689248 0.91 ACACB (0.79) ACACBACACATDP2SLC6A4SLC6A3
SCHEMBL12565162 0.91 ACACB (0.79) ACACBACACATDP2SLC6A4SLC6A3
SCHEMBL6113874 0.91 ACACB (0.79) ACACBACACAJAK2NTRK1MET

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US claimed
EP-2536686-A1 CYCLIC KETO-ENOLS FOR THERAPY Bayer Intellectual Property GmbH (DE) 2012-12-26 EP claimed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 WO claimed
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-02-14 US disclosed
EP-2536686-A1 CYCLIC KETO-ENOLS FOR THERAPY Bayer Intellectual Property GmbH (DE) 2012-12-26 EP disclosed
WO-2011098433-A1 CYCLIC KETO-ENOLS FOR THERAPY BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-08-18 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20130040935-A1 CYCLIC KETO-ENOLS FOR THERAPY AKR1B1, AKR1C3, AKR1A1 ACACB 310/4885ACACA 541/4885JAK2 3433/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.